============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. TYR 7 0.840 -68.322 -10.532 87.636 -99.200 -91.000 PHE 10 1.000 -72.199 -11.128 83.798 -99.200 -91.000 PHE 20 1.000 -72.747 8.940 84.913 -99.200 -91.000 PHE 23 1.000 -78.315 7.720 91.409 -99.200 -91.000 TYR 34 0.840 -73.929 -2.407 97.737 -99.200 -91.000 PHE 36 1.000 -74.618 1.076 86.851 -99.200 -91.000 TRP 71 1.040 -51.176 -1.499 91.719 -99.200 -91.000 TRP6 71 1.020 -50.109 0.238 90.494 -99.200 -91.000 TYR 72 0.840 -56.949 -2.116 85.790 -99.200 -91.000 PHE 76 1.000 -63.125 -9.528 89.003 -99.200 -91.000 TYR 82 0.840 -68.331 -4.408 99.719 -99.200 -91.000 PHE 96 1.000 -69.763 -0.274 96.602 -99.200 -91.000 HIS 107 0.900 -57.745 0.928 89.924 -99.200 -91.000 TYR 121 0.840 -43.150 -4.147 73.246 -99.200 -91.000 PHE 125 1.000 -38.333 -6.941 74.256 -99.200 -91.000 PHE 127 1.000 -43.112 2.538 65.411 -99.200 -91.000 PHE 130 1.000 -47.054 -7.803 63.611 -99.200 -91.000 TYR 137 0.840 -58.574 -2.682 69.437 -99.200 -91.000 PHE 138 1.000 -53.744 -2.636 76.686 -99.200 -91.000 PHE 142 1.000 -54.988 0.084 81.085 -99.200 -91.000 TYR 143 0.840 -53.636 5.052 78.843 -99.200 -91.000 PHE 149 1.000 -62.991 0.863 87.906 -99.200 -91.000 HIS 156 0.900 -71.767 4.995 95.722 -99.200 -91.000 PHE 160 1.000 -75.288 8.207 96.856 -99.200 -91.000 HIS 168 0.900 -65.992 23.050 91.581 -99.200 -91.000 HIS 171 0.900 -69.844 21.918 89.308 -99.200 -91.000 TYR 189 0.840 -54.497 31.411 76.041 -99.200 -91.000 TYR 199 0.840 -38.194 26.196 78.185 -99.200 -91.000 TYR 200 0.840 -41.302 27.825 74.947 -99.200 -91.000 PHE 211 1.000 -74.044 32.356 65.116 -99.200 -91.000 TYR 224 0.840 -68.384 17.160 78.515 -99.200 -91.000 HIS 228 0.900 -64.151 13.791 82.155 -99.200 -91.000 PHE 230 1.000 -58.117 23.151 83.342 -99.200 -91.000 HIS 231 0.900 -56.256 15.787 80.538 -99.200 -91.000 PHE 234 1.000 -52.508 22.179 80.815 -99.200 -91.000 PHE 237 1.000 -56.810 27.318 74.856 -99.200 -91.000 TYR 248 0.840 -44.907 34.289 64.447 -99.200 -91.000 TYR 255 0.840 -43.755 36.045 70.323 -99.200 -91.000 PHE 289 1.000 -54.983 12.786 67.301 -99.200 -91.000 TYR 291 0.840 -52.026 6.210 73.441 -99.200 -91.000 TYR 293 0.840 -44.453 6.745 64.169 -99.200 -91.000 PHE 297 1.000 -43.559 12.803 81.045 -99.200 -91.000 TYR 299 0.840 -48.950 7.993 77.001 -99.200 -91.000 TYR 307 0.840 -60.101 12.806 79.984 -99.200 -91.000 TYR 310 0.840 -66.340 8.433 79.496 -99.200 -91.000 PHE 311 1.000 -69.659 11.311 79.469 -99.200 -91.000 TYR 318 0.840 -59.824 18.549 60.286 -99.200 -91.000 TYR 330 0.840 -66.107 18.599 65.538 -99.200 -91.000 PHE 339 1.000 -77.144 7.185 75.220 -99.200 -91.000 PHE 345 1.000 -62.340 -10.564 75.675 -99.200 -91.000 TRP 350 1.040 -59.138 -13.946 71.049 -99.200 -91.000 TRP6 350 1.020 -58.974 -15.081 68.946 -99.200 -91.000 HIS 352 0.900 -59.391 -4.543 66.115 -99.200 -91.000 TYR 353 0.840 -56.103 -6.775 72.211 -99.200 -91.000 TRP 362 1.040 -56.152 1.104 48.974 -99.200 -91.000 TRP6 362 1.020 -57.165 2.253 47.174 -99.200 -91.000